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Sugi Predict / Compounds / Cystine

Cystine

Cystine

SCHEMBL9697229

CC(C)C[C@H](N)C(=O)O.CC[C@H](C)[C@H](N)C(=O)O.CSCC[C@H](N)C(=O)O.C[C@H](N)C(=O)O.N=C(N)NCCC[C@H](N)C(=O)O.NC(=O)CC[C@H](N)C(=O)O.NC(=O)C[C@H](N)C(=O)O.NC(CSSC[C@H](N)C(=O)O)C(=O)O.NCC(=O)O.NCCCC[C@H](N)C(=O)O.N[C@@H](CC(=O)O)C(=O)O.N[C@@H](CCC(=O)O)C(=O)O.N[C@@H](CS)C(=O)O.N[C@@H](Cc1c[nH]cn1)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O.O=C(O)[C@@H]1CCCN1

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACE

The experimentally established mechanism targets of Cystine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CALCR P30988 3/20 0.37
▸ APLNR P35414 2/20 0.37
▸ PTH1R Q03431 9/20 0.37
▸ CRHR1 P34998 1/20 0.36
▸ CRHR2 Q13324 1/20 0.36
▸ KEAP1 Q14145 1/20 0.35
▸ MC4R P32245 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Tyrosine SCHEMBL27366389 0.90 GLP1R (0.41) CALCRAPLNRCRHR1CRHR2
Tryptophan SCHEMBL27661960 0.90 PTH1R (0.44) PTH1RKEAP1
Arginine SCHEMBL27507048 0.89 APLNR (0.38) APLNRPTH1RKEAP1MC4R
Phenylalanine SCHEMBL28835549 0.89 CALCR (0.40) CALCRPTH1RCRHR1CRHR2
Tryptophan SCHEMBL27534250 0.88 GLP1R (0.42) PTH1R
Arginine SCHEMBL27611401 0.88 PTH1R (0.36) CALCRAPLNRPTH1RKEAP1
Tyrosine SCHEMBL27498286 0.88 CALCR (0.40) CALCRAPLNRCRHR1CRHR2
Tryptophan SCHEMBL27448344 0.88 GLP1R (0.44) PTH1R
Tryptophan SCHEMBL27645885 0.88 GLP1R (0.44) PTH1R
Cystine SCHEMBL27445596 0.88 GLP1R (0.40) CALCRAPLNRCRHR1CRHR2MC4R

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0504335-A1 A FIBRONECTIN BINDING PEPTIDE ALFA-LAVAL AGRI INTERNATIONAL AB (SE) 1992-09-23 — — EP disclosed
WO-1992002555-A1 A FIBRONECTIN BINDING PEPTIDE ALFA-LAVAL AGRI INTERNATIONAL AKTIEBOLAG (SE) 1992-02-20 — — WO disclosed